N-[3-[5-(3-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine

C17H22N2O2 — CID 65187137

IUPACN-[3-[5-(3-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
SMILESCOc1cc(-c2cnc(CCCNC3CC3)o2)ccc1C
InChIInChI=1S/C17H22N2O2/c1-12-5-6-13(10-15(12)20-2)16-11-19-17(21-16)4-3-9-18-14-7-8-14/h5-6,10-11,14,18H,3-4,7-9H2,1-2H3
InChIKeyLAVUWJODDWOLEA-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.34
Rot. Bonds7

About N-[3-[5-(3-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine

N-[3-[5-(3-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine (PubChem CID 65187137) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[3-[5-(3-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[5-(3-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
PubChem CID65187137
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[3-[5-(3-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
SMILESCOc1cc(-c2cnc(CCCNC3CC3)o2)ccc1C
InChIInChI=1S/C17H22N2O2/c1-12-5-6-13(10-15(12)20-2)16-11-19-17(21-16)4-3-9-18-14-7-8-14/h5-6,10-11,14,18H,3-4,7-9H2,1-2H3
InChIKeyLAVUWJODDWOLEA-UHFFFAOYSA-N
XLogP3.34
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187330
N-[3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65186990
N-[2-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182442
N-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187135
N-[3-[5-(5-iodothiophen-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 79690651
N-[[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65183620
N-[3-[5-(3-chloro-2-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 107100479
N-[3-[5-(2,4,6-trifluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187331
N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182302
N-[3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65186997
N-[3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 66120698
N-[2-[5-(3-iodophenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182015

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[5-(3-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine (CID 65187137) is N-[3-[5-(3-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[5-(3-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[5-(3-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine is COc1cc(-c2cnc(CCCNC3CC3)o2)ccc1C.
What is the InChIKey of N-[3-[5-(3-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The InChIKey is LAVUWJODDWOLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-5-6-13(10-15(12)20-2)16-11-19-17(21-16)4-3-9-18-14-7-8-14/h5-6,10-11,14,18H,3-4,7-9H2,1-2H3.
What are the key properties of N-[3-[5-(3-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
N-[3-[5-(3-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine has a molecular weight of 286.38 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(3-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine is sourced from PubChem (CID 65187137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).